SCHEMBL8225239

SCHEMBL8225239

CC(=O)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
ALOX15 P16050 1/20 0.59
LTA4H P09960 4/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
PPARA Q07869 1/20 0.53
FFAR1 O14842 1/20 0.52
MAOB P27338 1/20 0.50
AOC3 Q16853 1/20 0.50
PPARG P37231 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
EPHX1 P07099 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7746 0.92 ALOX15 (0.68) SMN1; SMN2ALOX15L3MBTL1HTTRAB9A
SCHEMBL2955123 0.85 HPGD (0.50) SMN1; SMN2ALOX15CYP1A2CYP2C9CYP2C19
Anisole SCHEMBL28851690 0.85 ALOX15 (0.59) SMN1; SMN2ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL7733929 0.85 MAPT (0.66) SMN1; SMN2ALOX15POLBGAARAB9A
SCHEMBL5009454 0.84 ALOX15 (0.83) SMN1; SMN2ALOX15LTA4HCYP1A2CYP2C9
SCHEMBL9633807 0.83 MAOB (0.50) SMN1; SMN2LTA4HGAAHTTRAB9A
SCHEMBL9321543 0.82 MAOA (0.49) SMN1; SMN2POLBGAAFFAR1MAOB
Diphenylether SCHEMBL27914216 0.82 ALOX15 (0.87) SMN1; SMN2ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL15145781 0.81 SMN1; SMN2 (0.63) SMN1; SMN2ALOX15LTA4HCYP1A2CYP2C9
SCHEMBL20425306 0.81 MAOB (0.70) SMN1; SMN2CYP1A2CYP2C19L3MBTL1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61108394-A None JP disclosed
WO-2008024922-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF WYETH (US) 2008-02-28 WO disclosed
US-4766152-A PESTICIDES, INSECTICIDES CIBA-GEIGY CORPORATION (US) 1988-08-23 US disclosed
EP-0200686-A2 Oxime derivatives CIBA-GEIGY AG (CH) 1986-11-05 EP disclosed
JP-S61108394-A BIOCHEMICAL PRODUCTION OF OPTICALLY ACTIVE 1-(4-FENOXYPHENOXY)-PROPANE-2-OL SUMITOMO CHEM CO LTD 1986-05-27 JP disclosed
US-4172146-A Substituted phenyl derivatives CIBA-GEIGY CORPORATION (US) 1979-10-23 US disclosed
US-4069344-A INSECTICIDAL SUBSTITUTED PHENYL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-01-17 US disclosed
US-4017536-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1977-04-12 US disclosed